Research workbench
2.06 ångström resolution structure of a hypoxanthine-guanine phosphoribosyltransferase (hpt-1) from bacillus anthracis str. 'ames ancestor'
Analyse 2.06 ångström resolution structure of a hypoxanthine-guanine… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3H83
- Type
- protein
- Length
- 746 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypoxanthine phosphoribosyltransferase
- UniProt
- Q81VX6
- Ligands
- GLC, FRU, PO4
- Pockets
- 8 · best druggability 0.65
Structure
x-ray diffraction · 3 distinct chains · 29% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypoxanthine phosphoribosyltransferase | protein | 198 | 28% helix, 34% strand | Q81VX6 |
| B | Hypoxanthine phosphoribosyltransferase | protein | 188 | 29% helix, 31% strand | Q81VX6 |
| C, D | Hypoxanthine phosphoribosyltransferase | protein | 180 | 31% helix, 32% strand | Q81VX6 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 3 copies · chains A, B
- FRU · beta-D-fructofuranose · sugar · 3 copies · chains A, B
- PO4 · Phosphate ion · ion · 10 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 596 | 0.65 | 0.75 | 52 | GLC, FRU, PO4 |
| 2 | 427 | 0.61 | 0.76 | 42 | PO4 |
| 3 | 434 | 0.60 | 0.75 | 40 | PO4 |
| 4 | 428 | 0.59 | 0.75 | 44 | GLC, FRU, PO4 |
| 5 | 85 | 0.51 | 0.83 | 20 | PO4 |
Interfaces
6 interfaces between chains.
- A–B · 2250 Ų buried · 30 hydrogen bonds · protein-protein
- C–D · 1793 Ų buried · 21 hydrogen bonds · protein-protein
- B–C · 962 Ų buried · 27 hydrogen bonds · protein-protein
- A–D · 923 Ų buried · 24 hydrogen bonds · protein-protein
- A–C · 244 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 3H83 · 2.06 Angstrom resolution structure of a hypoxanthine-guanine phosphoribosyltransferase… · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q81VX6
- Elsewhere: RCSB PDB 3H83 · PDBe 3H83 · UniProt Q81VX6
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